Information card for entry 7042045

Structure parameters

• Formula: C6 H16 F3 N2 Sb
• Calculated formula: C6 H16 F3 N2 Sb
• SMILES: [Sb]1(F)([N](C)(C)CC[N]1(C)C)(F)F
• Title of publication: Small molecule activation: SbF3 auto-ionization supported by transfer and mesoionic NHC rearrangement.
• Authors of publication: Alič, Blaž; Štefančič, Aleš; Tavčar, Gašper
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3338 - 3346
• a: 5.9966 ± 0.0001 Å
• b: 27.9637 ± 0.0003 Å
• c: 6.4187 ± 0.0001 Å
• α: 90°
• β: 106.031 ± 0.001°
• γ: 90°
• Cell volume: 1034.48 ± 0.03 ų
• Cell temperature: 149.98 ± 0.11 K
• Ambient diffraction temperature: 149.98 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No